tert-butyl N-((1S)-1-(4-aminobenzyl)-2-hydroxyethyl]-N-((2S)-2-hydroxy-3-phenoxypropyl)carbamate | 406164-92-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tert-butyl N-((1S)-1-(4-aminobenzyl)-2-hydroxyethyl]-N-((2S)-2-hydroxy-3-phenoxypropyl)carbamate
• 英文别名: tert-butyl N-[(2S)-1-(4-aminophenyl)-3-hydroxypropan-2-yl]-N-[(2S)-2-hydroxy-3-phenoxypropyl]carbamate
• CAS: 406164-92-9
• 化学式: C₂₃H₃₂N₂O₅
• 分子量: 416.517
• InChiKey: MQWPGQQSLRGCIJ-PMACEKPBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  30
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl N-((1S)-1-(4-aminobenzyl)-2-hydroxyethyl]-N-((2S)-2-hydroxy-3-phenoxypropyl)carbamate 在 N,N-二异丙基乙胺 作用下， 以 N-甲基吡咯烷酮 为溶剂， 生成 1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-(3-methoxyphenyl)urea
  参考文献：
  名称：

  Discovery of a novel, potent and selective human β3-adrenergic receptor agonist

  摘要：

  The discovery of a novel, potent and selective beta(3)-adrenergic receptor (AR) agonist is described. SAR studies demonstrated the structural requirements for activity and selectivity. Compound 1c, which showed good beta(3)-AR activity and selectivity, was identified and pharmacokinetics were investigated. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.001
• 作为产物：
  描述：

  (S)-3-(4-硝基苯基)2-氨基-1-丙醇 在 铁粉 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 tert-butyl N-((1S)-1-(4-aminobenzyl)-2-hydroxyethyl]-N-((2S)-2-hydroxy-3-phenoxypropyl)carbamate
  参考文献：
  名称：

  Discovery of a novel, potent and selective human β3-adrenergic receptor agonist

  摘要：

  The discovery of a novel, potent and selective beta(3)-adrenergic receptor (AR) agonist is described. SAR studies demonstrated the structural requirements for activity and selectivity. Compound 1c, which showed good beta(3)-AR activity and selectivity, was identified and pharmacokinetics were investigated. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.001

文献信息

• Aminoalcohol derivatives
  申请人：——

  公开号：US20040037022A1

  公开（公告）日：2004-02-26

  The present invention relates to a compound formula (I) wherein X 1 is bond or —O—CH 2 —, (II) or (III) R 1 is hydrogen or an amino protective group, a is phenyl, indolyl or carbazolyl, each of which may be substituted with one or two substituent(s), and B is hydrogen; halogen; lower alkyl; lower alkoxycarbonyl; cyclo(lower)alkyl; or a heterocyclic group, naphthyl, 1,2,3,4-tetrahydronaphthyl, benzyl or phenyl, each of which may be substituted with one or two substituent(s), or a salt thereof. The compound (I) of the present invention and pharmaceutically acceptable salts thereof are useful for the prophylactic and/or the therapeutic treatment of pollakiures or urinary incontinence. 1

  本发明涉及一种化合物公式(I)，其中X1为键或-O-CH2-，(II)或(III)R1为氢或氨基保护基，a为苯基、吲哚基或咔唑基，每个基团都可以被一个或两个取代基取代，B为氢、卤素、低碳基、低碳酸甲酯基、环(低)烷基或杂环基、萘基、1,2,3,4-四氢萘基、苄基或苯基，每个基团都可以被一个或两个取代基取代，或其盐。本发明的化合物(I)及其药学上可接受的盐用于预防和/或治疗排尿频繁或尿失禁。
• US6826033B2
  申请人：——

  公开号：US6826033B2

  公开（公告）日：2004-11-30
• Discovery of a novel, potent and selective human β3-adrenergic receptor agonist
  作者：Yutaka Nakajima、Hitoshi Hamashima、Ken-Ichi Washizuka、Yasuyo Tomishima、Hiroaki Ohtake、Emiko Imamura、Toshiko Miura、Hiroshi Kayakiri、Masayuki Kato

  DOI：10.1016/j.bmcl.2004.11.001

  日期：2005.1

  The discovery of a novel, potent and selective beta(3)-adrenergic receptor (AR) agonist is described. SAR studies demonstrated the structural requirements for activity and selectivity. Compound 1c, which showed good beta(3)-AR activity and selectivity, was identified and pharmacokinetics were investigated. (C) 2004 Elsevier Ltd. All rights reserved.